2-bromo-9-hexyl-9-methylfluorene

C20H23Br — CID 141395535

IUPAC2-bromo-9-hexyl-9-methylfluorene
SMILESCCCCCCC1(C)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C20H23Br/c1-3-4-5-8-13-20(2)18-10-7-6-9-16(18)17-12-11-15(21)14-19(17)20/h6-7,9-12,14H,3-5,8,13H2,1-2H3
InChIKeyAPOOUZCXGVRAJT-UHFFFAOYSA-N
MW343.31 g/mol
LogP6.71
Rot. Bonds5

About 2-bromo-9-hexyl-9-methylfluorene

2-bromo-9-hexyl-9-methylfluorene (PubChem CID 141395535) has the molecular formula C20H23Br and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-bromo-9-hexyl-9-methylfluorene.

Molecular Properties

Compound Name2-bromo-9-hexyl-9-methylfluorene
PubChem CID141395535
Molecular FormulaC20H23Br
Molecular Weight343.31 g/mol
Exact Mass342.10
IUPAC Name2-bromo-9-hexyl-9-methylfluorene
SMILESCCCCCCC1(C)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C20H23Br/c1-3-4-5-8-13-20(2)18-10-7-6-9-16(18)17-12-11-15(21)14-19(17)20/h6-7,9-12,14H,3-5,8,13H2,1-2H3
InChIKeyAPOOUZCXGVRAJT-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.31
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-bromo-9-hexyl-9-methylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-9-methyl-9-octylfluorene
CID 134581594
2-bromo-9,9-dihexylfluorene
CID 18674600
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
3-bromo-9,9-dioctylfluorene
CID 139567905
2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 59512866
(4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol
CID 163830489
2,7-dibromo-9,10-dioctylphenanthrene-9,10-diol
CID 59479587
2,7-dibromo-9-iodo-9-octylfluorene
CID 138531843
9-hexyl-2,7,9-trimethylfluorene
CID 123978298
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
CID 146448745

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-hexyl-9-methylfluorene?
The IUPAC name of 2-bromo-9-hexyl-9-methylfluorene (CID 141395535) is 2-bromo-9-hexyl-9-methylfluorene.
What is the SMILES notation for 2-bromo-9-hexyl-9-methylfluorene?
The canonical SMILES for 2-bromo-9-hexyl-9-methylfluorene is CCCCCCC1(C)c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9-hexyl-9-methylfluorene?
The InChIKey is APOOUZCXGVRAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Br/c1-3-4-5-8-13-20(2)18-10-7-6-9-16(18)17-12-11-15(21)14-19(17)20/h6-7,9-12,14H,3-5,8,13H2,1-2H3.
What are the key properties of 2-bromo-9-hexyl-9-methylfluorene?
2-bromo-9-hexyl-9-methylfluorene has a molecular weight of 343.31 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-hexyl-9-methylfluorene is sourced from PubChem (CID 141395535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).